Experiment: 2KGI

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	1H,15N-HSQC	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
2	1H,13C-HSQC	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
3	HNCACB	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
4	HBHACONH	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
5	CBCACONH	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
6	2D 1H-1H NOESY	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
7	HCCHTOCSY	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
8	15N-EDITED 1H,1H-NOESY	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
9	13C-EDITED 1H,1H-NOESY	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
10	15N IPAP HSQC	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	200 mM NACL	7.0	1 atm	298.2
11	13C,15N-FILTERED, 13C-EDITED 1H,1H-NOESY	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
12	13C,15N-FILTERED, 2D 1H,1H-NOESY	0.2-0.5 MM [U-100% 13C; U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 20 MM SODIUM PHOSPHATE	90% H2O/10% D2O	20 mM SODIUM PHOSPHATE	7.0	1 atm	293.2
13	15N IPAP HSQC	0.2-0.5 MM [U-100% 15N] JARID1A PHD FINGER 3, 0.2-0.5 MM H3(1-9)K4ME3, 5 MM DTT, 1 MM ZINC CHLORIDE, 10 MM MOPS, 12 MG/ML BACTERIOPHAGE PF1	90% H2O/10% D2O	200 mM NACL	7.0	1 atm	298.2

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	800

NMR Refinement
Method	Details	Software
simulated annealing	the structure was first calculated using CYANA and then refined using XPLOR-NIH	X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR NIH	2.18	Schwieters, C. et al.
2	structure solution	CYANA	2.1	Guntert, P. et al.

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.